SCHEMBL20034099

SCHEMBL20034099

CC1(N)CCN(C(O)c2cccc(-c3cnc4[nH]c(-c5ccccc5)cc4c3)n2)C1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.39
ULK1 O75385 5/20 0.36
PIK3CG P48736 1/20 0.34
KIT P10721 9/20 0.34
STK4 Q13043 1/20 0.33
STK3 Q13188 1/20 0.33
CCNB2 O95067 1/20 0.33
CDK1 P06493 1/20 0.33
CCNB1 P14635 1/20 0.33
CDK5 Q00535 1/20 0.33
CDK5R1 Q15078 1/20 0.33
CCNB3 Q8WWL7 1/20 0.33
PRMT5 O14744 1/20 0.33
CSF1R P07333 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL20034118 0.95 BRD4 (0.38) BRD4ULK1PIK3CGKITCCNB2
SCHEMBL20034111 0.95 BRD4 (0.40) BRD4ULK1PIK3CGKITSTK4
SCHEMBL20034094 0.87 ULK1 (0.40) BRD4ULK1PIK3CGKIT
SCHEMBL20034104 0.83 BRD4 (0.41) BRD4ULK1PIK3CGKITCCNB2
SCHEMBL20034100 0.82 BRD4 (0.36) BRD4ULK1PIK3CGKITCCNB2
SCHEMBL20034086 0.81 BRD4 (0.40) BRD4ULK1PIK3CGKITCCNB2
SCHEMBL20034120 0.80 BRD4 (0.38) BRD4ULK1PIK3CGKITCSF1R
SCHEMBL20034117 0.80 BRD4 (0.39) BRD4ULK1PIK3CGKITCSF1R
SCHEMBL18918898 0.79 ULK1 (0.45) BRD4ULK1PIK3CGKIT
SCHEMBL20034134 0.79 BRD4 (0.41) BRD4ULK1PIK3CGKITSTK4

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9938273-B2 Compounds and methods for kinase modulation, and indications therefor PLEXXIKON INC. (US) 2018-04-10 US disclosed